Betulinic Acid

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  • Identifiers

    CAS number
    472-15-1

    Molecular formula
    C30H48O3

    SMILES
    CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.04%
    Amber 52.14%
    Dry 48.56%
    Cedar 48.19%
    Balsamic 46.05%
    Sandalwood 44.35%
    Sweet 37.95%
    Camphoreous 36.3%
    Pine 36.17%
    Vetiver 35.73%

     

    Flavor
    Woody 64.71%
    Balsam 41.1%
    Camphor 40.2%
    Sweet 39.46%
    Pine 38.94%
    Herbal 38.07%
    Wood 29.35%
    Spicy 29.01%
    Dry 27.69%
    Earthy 27.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.2

    pKa est.
    6.58 (neutral)

    Molecular weight
    456.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    366°C

    Melting point expt.

    • 316 - 318 °C

    Flash point

    • 250.34 ˚C est.

  • Synonyms

    • betulinic acid
    • 472-15-1
    • Mairin
    • Betulic acid
    • Lupatic Acid
    • als-357
    • 3-Hydroxylup-20(29)-en-28-oic acid
    • beta-betulinic acid
    • NSC-113090
    • NSC-677578
    • 3beta-Hydroxy-lup-20(29)-en-28-oic acid
    • 4G6A18707N
    • CHEBI:3087
    • DTXSID80861974
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
    • NSC113090
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta(a)chrysene-3a-carboxylic acid
    • 3 Epi betulinic Acid
    • RefChem:5606
    • DTXCID301506361
    • 3-Hydroxy-lup-20(29)-en-28-oic Acid
    • (3beta)-3-Hydroxy-lup-20(29)-en-28-oic Acid
    • 207-448-8
    • Betulinicacid
    • MFCD00009619
    • 3beta-Hydroxy-20(29)-lupaene-28-oic acid
    • .beta.-betulinic acid
    • Lupatic acid;Betulic acid
    • NSC677578
    • 3beta-hydroxylup-20(29)-en-28-oic acid
    • CHEMBL269277
    • (3beta)-3-hydroxylup-20(29)-en-28-oic acid
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid
    • SMR000445624
    • NSC 113090
    • CCRIS 6748
    • EINECS 207-448-8
    • NSC 677578
    • betulinic-acid
    • Betulinic acid?
    • UNII-4G6A18707N
    • Prestwick_95
    • Betulinic Acid, 24
    • Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3beta)-
    • Prestwick0_000417
    • Prestwick1_000417
    • Prestwick2_000417
    • Prestwick3_000417
    • Betulinic acid (Standard)
    • BETULINIC ACID [MI]
    • Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3.beta.)-
    • SCHEMBL61767
    • BSPBio_000374
    • BSPBio_001587
    • cid_64971
    • MLS000728510
    • MLS006011257
    • SPBio_002313
    • BPBio1_000412
    • GTPL3945
    • orb1304966
    • BDBM23208
    • GLXC-06559
    • HMS1569C16
    • HMS1791P09
    • HMS1989P09
    • HMS2096C16
    • HMS2232K03
    • HMS3402P09
    • HMS6018J07
    • Betulinic acid, analytical standard
    • Betulinic acid, >=98% (HPLC)
    • MSK40138
    • HB3799
    • HY-10529R
    • s3603
    • STL570261
    • AKOS015920276
    • Betulinic acid, technical grade, 90%
    • CCG-208159
    • CS-1216
    • DB12480
    • EBC-445041
    • FB16425
    • LMPR0106140004
    • RL9-080
    • SMP2_000205
    • NCGC00163409-02
    • NCGC00163409-03
    • NCGC00163409-09
    • NCGC00163409-12
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
    • BP-25391
    • DS-15257
    • HY-10529
    • SY058034
    • 3b-Hydroxy-20(29)-lupaene-28-oic acid
    • NS00042781
    • C08619
    • M01408
    • Lup-20(29)-en-28-oic acid, 3beta -hydroxy-
    • (3|_)-3-Hydroxylup-20(29)-en-28-oic acid
    • 3-Hydroxy-(3beta)-Lup-20(29)-en-28-oic acid
    • 472B151
    • Q384111
    • SR-01000779609
    • SR-01000779609-3
    • BRD-K45401373-001-05-0
    • BRD-K45401373-001-20-9
    • BRD-K45401373-001-22-5
    • (3.BETA.)-3-HYDROXYLUP-20(29)-EN-28-OIC ACID
    • (1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosane-5-carboxylic acid
    • (1R,3 aS,5aR,5bR,7aR,9S,11aR,11bR,13 aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-Hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-eicosahydro-cyclopenta[a]chrysene-3a-carboxylic acid
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylicacid
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylicacid
    • 06L
    • 472-15-1

  • Applications

    Betulinic acid (CAS 472-15-1) is primarily used as a core scaffold and precursor for semi-synthetic triterpenoid derivatives in pharmaceutical research, while being evaluated for cosmetic and personal care formulations as a natural-origin ingredient in skin-care products. It also functions as an intermediate for the synthesis of other triterpenoids and functional derivatives. In materials science, betulinic acid is regarded as a building block for functional derivatives in polymers, coatings, and related formulations. Additionally, it is studied as a bio-based additive in coatings and inks for industrial applications, subject to local formulation restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.02
    methanol 7.93
    isopropanol 12.06
    water 0.02
    ethyl acetate 6.1
    n-propanol 18.17
    acetone 6.91
    n-butanol 15.8
    acetonitrile 2.71
    DMF 57.68
    toluene 10.22
    isobutanol 11.38
    1,4-dioxane 29.72
    methyl acetate 5.16
    THF 89.4
    2-butanone 9.73
    n-pentanol 9.94
    sec-butanol 7.35
    n-hexane 0.28
    ethylene glycol 1.71
    NMP 34.8
    cyclohexane 0.26
    DMSO 13.52
    n-butyl acetate 6.95
    n-octanol 4.15
    chloroform 23.98
    n-propyl acetate 4.7
    acetic acid 7.21
    dichloromethane 10.58
    cyclohexanone 16.35
    propylene glycol 4.54
    isopropyl acetate 7.47
    DMAc 34.45
    2-ethoxyethanol 18.91
    isopentanol 10.68
    n-heptane 0.27
    ethyl formate 2.97
    1,2-dichloroethane 6.16
    n-hexanol 11.37
    2-methoxyethanol 30.75
    isobutyl acetate 4.98
    tetrachloromethane 2.94
    n-pentyl acetate 10.53
    transcutol 39.23
    n-heptanol 8.59
    ethylbenzene 3.82
    MIBK 8.62
    2-propoxyethanol 55.97
    tert-butanol 8.63
    MTBE 6.35
    2-butoxyethanol 31.19
    propionic acid 5.97
    o-xylene 4.46
    formic acid 3.14
    diethyl ether 8.08
    m-xylene 7.2
    p-xylene 3.96
    chlorobenzene 8.41
    dimethyl carbonate 7.8
    n-octane 0.1
    formamide 4.55
    cyclopentanone 29.32
    2-pentanone 10.24
    anisole 11.47
    cyclopentyl methyl ether 18.2
    gamma-butyrolactone 24.42
    1-methoxy-2-propanol 43.35
    pyridine 27.44
    3-pentanone 6.93
    furfural 20.77
    n-dodecane 0.04
    diethylene glycol 23.87
    diisopropyl ether 2.27
    tert-amyl alcohol 5.19
    acetylacetone 12.56
    n-hexadecane 0.05
    acetophenone 9.83
    methyl propionate 9.19
    isopentyl acetate 8.94
    trichloroethylene 20.19
    n-nonanol 4.74
    cyclohexanol 6.9
    benzyl alcohol 12.26
    2-ethylhexanol 4.45
    isooctanol 6.62
    dipropyl ether 6.1
    1,2-dichlorobenzene 7.67
    ethyl lactate 5.64
    propylene carbonate 9.93
    n-methylformamide 11.79
    2-pentanol 6.9
    n-pentane 0.33
    1-propoxy-2-propanol 34.83
    1-methoxy-2-propyl acetate 22.37
    2-(2-methoxypropoxy) propanol 17.08
    mesitylene 3.3
    ε-caprolactone 15.44
    p-cymene 2.53
    epichlorohydrin 30.96
    1,1,1-trichloroethane 6.22
    2-aminoethanol 7.98
    morpholine-4-carbaldehyde 51.44
    sulfolane 29.61
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 18.89
    n-hexyl acetate 10.16
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 24.94
    sec-butyl acetate 4.21
    tert-butyl acetate 9.96
    decalin 0.3
    glycerin 8.32
    diglyme 38.79
    acrylic acid 5.93
    isopropyl myristate 2.65
    n-butyric acid 11.24
    acetyl acetate 5.18
    di(2-ethylhexyl) phthalate 6.14
    ethyl propionate 4.99
    nitromethane 9.77
    1,2-diethoxyethane 10.0
    benzonitrile 7.22
    trioctyl phosphate 3.86
    1-bromopropane 3.84
    gamma-valerolactone 52.26
    n-decanol 2.26
    triethyl phosphate 3.95
    4-methyl-2-pentanol 5.09
    propionitrile 5.12
    vinylene carbonate 10.66
    1,1,2-trichlorotrifluoroethane 22.42
    DMS 8.92
    cumene 2.45
    2-octanol 3.62
    2-hexanone 6.59
    octyl acetate 4.06
    limonene 2.61
    1,2-dimethoxyethane 24.15
    ethyl orthosilicate 4.52
    tributyl phosphate 3.14
    diacetone alcohol 15.37
    N,N-dimethylaniline 8.77
    acrylonitrile 6.6
    aniline 12.53
    1,3-propanediol 15.19
    bromobenzene 8.11
    dibromomethane 6.55
    1,1,2,2-tetrachloroethane 16.58
    2-methyl-cyclohexyl acetate 7.14
    tetrabutyl urea 4.87
    diisobutyl methanol 3.12
    2-phenylethanol 16.84
    styrene 4.17
    dioctyl adipate 5.57
    dimethyl sulfate 12.9
    ethyl butyrate 5.57
    methyl lactate 10.85
    butyl lactate 13.32
    diethyl carbonate 3.36
    propanediol butyl ether 21.71
    triethyl orthoformate 6.97
    p-tert-butyltoluene 2.87
    methyl 4-tert-butylbenzoate 17.33
    morpholine 44.69
    tert-butylamine 3.89
    n-dodecanol 1.06
    dimethoxymethane 42.76
    ethylene carbonate 8.42
    cyrene 21.03
    2-ethoxyethyl acetate 17.02
    2-ethylhexyl acetate 6.32
    1,2,4-trichlorobenzene 11.41
    4-methylpyridine 20.16
    dibutyl ether 2.25
    2,6-dimethyl-4-heptanol 3.12
    DEF 12.09
    dimethyl isosorbide 30.9
    tetrachloroethylene 11.08
    eugenol 19.44
    triacetin 11.42
    span 80 15.78
    1,4-butanediol 5.25
    1,1-dichloroethane 6.05
    2-methyl-1-pentanol 6.4
    methyl formate 6.02
    2-methyl-1-butanol 9.25
    n-decane 0.13
    butyronitrile 5.92
    3,7-dimethyl-1-octanol 3.74
    1-chlorooctane 1.01
    1-chlorotetradecane 0.2
    n-nonane 0.11
    undecane 0.07
    tert-butylcyclohexane 0.3
    cyclooctane 0.16
    cyclopentanol 9.73
    tetrahydropyran 19.22
    tert-amyl methyl ether 4.55
    2,5,8-trioxanonane 22.51
    1-hexene 1.37
    2-isopropoxyethanol 13.64
    2,2,2-trifluoroethanol 3.55
    methyl butyrate 5.63

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction